SCHEMBL18178783

SCHEMBL18178783

CCOc1cccc(OC(=O)CC)c1COc1cc(C)c(C)cc1C(F)F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 2/20 0.38
ACHE P22303 2/20 0.37
SLC22A12 Q96S37 1/20 0.34
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
ESR1 P03372 1/20 0.34
ESR2 Q92731 1/20 0.34
KMT2A Q03164 3/20 0.33
GLA P06280 2/20 0.33
LMNA P02545 2/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ALDH1A1 P00352 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TP53 P04637 1/20 0.33
ACLY P53396 1/20 0.33
EZH2 Q15910 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL18178606 0.92 PTGS1 (0.36) MRGPRX4ACHESLC22A12PTGS1PTGS2
SCHEMBL18182456 0.92 MRGPRX4 (0.36) MRGPRX4ACHESLC22A12PTGS1PTGS2
SCHEMBL18178776 0.92 SLC22A12 (0.40) MRGPRX4ACHESLC22A12KMT2AGLA
SCHEMBL18178677 0.91 MRGPRX4 (0.36) MRGPRX4ACHEPTGS1PTGS2ESR1
SCHEMBL18178403 0.90 MRGPRX4 (0.37) MRGPRX4SLC22A12PTGS1PTGS2ESR1
SCHEMBL18178777 0.90 ACHE (0.36) MRGPRX4ACHESLC22A12KMT2AGLA
SCHEMBL18178773 0.90 GUCY1B2 (0.37) MRGPRX4ACHEACLY
SCHEMBL18178778 0.89 ACHE (0.36) MRGPRX4ACHESLC22A12KMT2AGLA
SCHEMBL18178772 0.89 ACHE (0.36) MRGPRX4ACHESLC22A12KMT2AGLA
SCHEMBL18178771 0.89 MRGPRX4 (0.37) MRGPRX4ACHEKMT2AALDH1A1L3MBTL1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9573904-B2 Aromatic compound and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-02-21 US disclosed
US-20160311775-A1 AROMATIC COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-10-27 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20160311775-A1 AROMATIC COMPOUND AND USE THEREOF ZCCHC8, CBR3, CBX8 MRGPRX4 167/4885ACHE 460/4885SLC22A12 4500/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.